CID 3045729

(+-)-1-(3-methoxyphenyl)-6-azabicyclo(3.2.1)octane

Structural Information

Molecular Formula
C14H19NO
SMILES
COC1=CC=CC(=C1)C23CCCC(C2)NC3
InChI
InChI=1S/C14H19NO/c1-16-13-6-2-4-11(8-13)14-7-3-5-12(9-14)15-10-14/h2,4,6,8,12,15H,3,5,7,9-10H2,1H3
InChIKey
RPACRPKTCVWREU-UHFFFAOYSA-N
Compound name
1-(3-methoxyphenyl)-6-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

217.14667 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.15395 151.1
[M+Na]+ 240.13589 156.9
[M-H]- 216.13939 153.7
[M+NH4]+ 235.18049 172.6
[M+K]+ 256.10983 152.6
[M+H-H2O]+ 200.14393 144.1
[M+HCOO]- 262.14487 167.6
[M+CH3COO]- 276.16052 162.2
[M+Na-2H]- 238.12134 156.1
[M]+ 217.14612 146.6
[M]- 217.14722 146.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe